CID 674807

3-phenyl-1-(pyridin-3-yl)urea

Structural Information

Molecular Formula
C12H11N3O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CN=CC=C2
InChI
InChI=1S/C12H11N3O/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16)
InChIKey
WBKYYDBHEGTTON-UHFFFAOYSA-N
Compound name
1-phenyl-3-pyridin-3-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

23
Patents

213.09021 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.09749 145.0
[M+Na]+ 236.07943 150.9
[M-H]- 212.08293 150.3
[M+NH4]+ 231.12403 161.2
[M+K]+ 252.05337 147.6
[M+H-H2O]+ 196.08747 136.5
[M+HCOO]- 258.08841 170.3
[M+CH3COO]- 272.10406 189.2
[M+Na-2H]- 234.06488 154.1
[M]+ 213.08966 142.5
[M]- 213.09076 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe